⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13618939 | 0.85 | CA1 (0.40) | — | |
| SCHEMBL13489710 | 0.85 | CA1 (0.40) | — | |
| SCHEMBL4455551 | 0.84 | KDM4E (0.38) | — | |
| SCHEMBL4455547 | 0.84 | KDM4E (0.38) | — | |
| SCHEMBL13489714 | 0.74 | — | — | |
| SCHEMBL13619136 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL13619134 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL15764467 | 0.70 | HSD17B10 (0.44) | — | |
| SCHEMBL16822817 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL15598084 | 0.68 | CA1 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009137251-A2 | CYSTEINE AND CYSTINE BIOISOSTERES TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS | MARQUETTE UNIVERSITY (US) | 2009-11-12 | — | — | WO | disclosed |